SCHEMBL8680564

SCHEMBL8680564

COc1cc(OC)c2c(c1)OC1(C=Cc3c(ccc4cc([N+](=O)[O-])ccc34)O1)C(c1ccccc1)=C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.36
KMT2A Q03164 6/20 0.36
MAPT P10636 6/20 0.36
POLB P06746 2/20 0.36
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAOB P27338 1/20 0.35
CYP2C9 P11712 2/20 0.34
CYP3A4 P08684 1/20 0.34
NPC1 O15118 2/20 0.34
CYP2C19 P33261 1/20 0.34
ABCG2 Q9UNQ0 2/20 0.33
LMNA P02545 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
HTT P42858 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
ANO1 Q5XXA6 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8680293 0.87 CYP19A1 (0.36) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL8682553 0.84 MEN1 (0.36) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL8682558 0.84 PTGS1 (0.39) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL8685169 0.81 CYP19A1 (0.34) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL8682348 0.78 KMT2A (0.34) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL8680370 0.78 NPSR1 (0.32) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL619662 0.74 MAOB (0.38) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL8680380 0.74 MAOB (0.38) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL8681160 0.73 HTT (0.34) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL8680536 0.73 ALDH1A1 (0.36) MEN1KMT2AMAPTPOLBALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5759729-A A DRY TONER COMPRISING A RESIN, PHOTOCHROMATIC SPIROPYRAN, -OXAZINE OR -THIOPYRAN DYE AND A CHARGE CONTROL AGENT;ELECTROGRAPHY; XEROGRAPHY XEROX CORPORATION (US) 1998-06-02 US claimed
US-5759729-A A DRY TONER COMPRISING A RESIN, PHOTOCHROMATIC SPIROPYRAN, -OXAZINE OR -THIOPYRAN DYE AND A CHARGE CONTROL AGENT;ELECTROGRAPHY; XEROGRAPHY XEROX CORPORATION (US) 1998-06-02 US disclosed
US-5710420-A Method for embedding and recovering machine-readable information XEROX CORPORATION (US) 1998-01-20 US disclosed
US-5633109-A Ink compositions with liposomes containing photochromic compounds XEROX CORPORATION (US) 1997-05-27 US disclosed
US-5593486-A Photochromic hot melt ink compositions XEROX CORPORATION (US) 1997-01-14 US disclosed
US-5551973-A LIQUID CRYSTAL GEL PHASE, MICROEMULSION PHASE XEROX CORPORATION (US) 1996-09-03 US disclosed